ethyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate

Systemtic Name: ethyl 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(4-phenylbutan-2-ylamino)propanoate Openeye Name: ethyl 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propanoate CAS Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(4-phenylbutan-2-ylamino)propanoate Traditional Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propionic acid ethyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=C(C=C1)O)O)O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C1=CC(=C(C=C1)O)O)O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5/c1-3-27-21(26)19(20(25)16-11-12-17(23)18(24)13-16)22-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,19-20,22-25H,3,9-10H2,1-2H3